ABSTRACT

The present work reports liquid liquid equilibrium data for systems containing water + 5- hydroxymethylfurfural + {1-butanol, 2-butanol or 2-pentanol} at T = 298.2 K and atmospheric pressure ( 0.1 MPa), determined by refractometry and density measurements. The results were evaluated by calculation of the overall mass balance, resulting in overall relative deviations lower than 1.05%. Experimental data were correlated with the NRTL model to calculate the activity coefficient. The average root mean square deviation was equal to 0.65% for all systems. Cloud points, tie lines, partition coefficients and selectivities indicated that 2-pentanol is better than the other studied solvents for 5- hydroxymethylfurfural recovery from water.

Compounds

#	Formula	Name
1	H2O	water
2	C4H10O	butan-1-ol
3	C4H10O	butan-2-ol
4	C5H12O	pentan-2-ol
5	C6H6O3	5-(hydroxymethyl)furan-2-carbaldehyde

Datasets

The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type	Compound-#	Property	Variable	Constraint	Phase	Method	#Points
POMD	1	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	1	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	2	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	2	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	3	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	3	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	4	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	4	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	5 2 1	Mass fraction - 5 ; Liquid mixture 1	Mass fraction - 1; Liquid mixture 1	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	14
POMD	5 2 1	Mass density, kg/m3 ; Liquid	Mass fraction - 1; Liquid Mass fraction - 5; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Vibrating tube method	14
POMD	5 2 1	Refractive index (Na D-line) ; Liquid	Mass fraction - 1; Liquid Mass fraction - 5; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	14
POMD	5 2 1	Mass fraction - 5 ; Liquid mixture 2 Mass fraction - 5 ; Liquid mixture 1 Mass fraction - 1 ; Liquid mixture 1	Mass fraction - 1; Liquid mixture 2	Temperature, K; Liquid mixture 2 Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Density calibration data Density calibration data Density calibration data	5
POMD	5 3 1	Mass fraction - 5 ; Liquid mixture 1	Mass fraction - 1; Liquid mixture 1	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	14
POMD	5 3 1	Mass density, kg/m3 ; Liquid	Mass fraction - 1; Liquid Mass fraction - 5; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Vibrating tube method	14
POMD	5 3 1	Refractive index (Na D-line) ; Liquid	Mass fraction - 1; Liquid Mass fraction - 5; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	14
POMD	5 3 1	Mass fraction - 5 ; Liquid mixture 2 Mass fraction - 5 ; Liquid mixture 1 Mass fraction - 1 ; Liquid mixture 1	Mass fraction - 1; Liquid mixture 2	Temperature, K; Liquid mixture 2 Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Density calibration data Density calibration data Density calibration data	6
POMD	5 4 1	Mass fraction - 5 ; Liquid mixture 1	Mass fraction - 1; Liquid mixture 1	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	14
POMD	5 4 1	Mass density, kg/m3 ; Liquid	Mass fraction - 1; Liquid Mass fraction - 5; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Vibrating tube method	14
POMD	5 4 1	Refractive index (Na D-line) ; Liquid	Mass fraction - 1; Liquid Mass fraction - 5; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	14
POMD	5 4 1	Mass fraction - 1 ; Liquid mixture 2 Mass fraction - 1 ; Liquid mixture 1 Mass fraction - 5 ; Liquid mixture 1	Mass fraction - 5; Liquid mixture 2	Temperature, K; Liquid mixture 2 Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Density calibration data Density calibration data Density calibration data	4
POMD	2 1	Mass fraction - 1 ; Liquid mixture 1		Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	2
POMD	2 1	Mass density, kg/m3 ; Liquid	Mass fraction - 1; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Vibrating tube method	2
POMD	2 1	Refractive index (Na D-line) ; Liquid	Mass fraction - 1; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	2
POMD	3 1	Mass fraction - 1 ; Liquid mixture 1		Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	2
POMD	3 1	Mass density, kg/m3 ; Liquid	Mass fraction - 1; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Vibrating tube method	2
POMD	3 1	Refractive index (Na D-line) ; Liquid	Mass fraction - 1; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	2
POMD	4 1	Mass fraction - 1 ; Liquid mixture 1		Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	2
POMD	4 1	Mass density, kg/m3 ; Liquid	Mass fraction - 1; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Vibrating tube method	2
POMD	4 1	Refractive index (Na D-line) ; Liquid	Mass fraction - 1; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	2

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Liquid-liquid equilibrium in systems used for the production of 5-hydroxymethylfurfural from biomass using alcohols as solvents

Dalmolin, I.[Irede], Pinto, R. R.[Rafaela R.], de Oliveira, L. H.[Leonardo H.], Follegatti-Romero, L. A.[Luis A.], Costa, A. C.[Aline C.], Aznar, M.[Martin]

ABSTRACT